CID 67452878

1344145-52-3

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1CC(C1)(C#N)C2=C(C=CC=N2)F
InChI
InChI=1S/C10H9FN2/c11-8-3-1-6-13-9(8)10(7-12)4-2-5-10/h1,3,6H,2,4-5H2
InChIKey
XVPDCACJJBQDIA-UHFFFAOYSA-N
Compound name
1-(3-fluoropyridin-2-yl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

176.07498 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 130.1
[M+Na]+ 199.06420 139.5
[M-H]- 175.06770 133.6
[M+NH4]+ 194.10880 143.0
[M+K]+ 215.03814 139.3
[M+H-H2O]+ 159.07224 112.5
[M+HCOO]- 221.07318 147.2
[M+CH3COO]- 235.08883 195.0
[M+Na-2H]- 197.04965 137.1
[M]+ 176.07443 130.7
[M]- 176.07553 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe